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  1. Third-Parties
  2. MatprojStructure
  3. mp-1177072

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1177072
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Li', 'Sb', 'S']
  • Chemical System: Li-S-Sb
  • Density: 2.2976489238519116
  • Atomic Density: 0.051375036699179415
  • Unit Cell Volume: 1090.023552253627
  • Molar Volume: 11.721920113190281
  • Full Formula: Li40 Sb8 S8
  • Reduced Formula: Li5SbS
  • Formula Anonymous: ABC5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -196.00574467
  • Final energy per atom: -3.500102583392857
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.